SCHEMBL8029239

SCHEMBL8029239

C[C@@H](N)Cc1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.66
SLC6A3 Q01959 4/20 0.66
SLC6A4 P31645 3/20 0.66
PNMT P11086 3/20 0.52
TAAR1 Q96RJ0 3/20 0.50
MAOA P21397 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
LMNA P02545 1/20 0.47
IDO1 P14902 2/20 0.47
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13692527 1.00 SLC6A2 (0.66) SLC6A2SLC6A3SLC6A4PNMTTAAR1
SCHEMBL268275 1.00 SLC6A2 (0.66) SLC6A2SLC6A3SLC6A4PNMTTAAR1
Hydrochloric Acid SCHEMBL30559556 0.98 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4PNMTTAAR1
Methane SCHEMBL20481902 0.98 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4PNMTTAAR1
Hydrochloric Acid SCHEMBL3279906 0.98 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4PNMTTAAR1
SCHEMBL2857779 0.84 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4TAAR1MAOA
SCHEMBL17407624 0.83 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4PNMTTAAR1
SCHEMBL3885817 0.83 PNMT (0.57) SLC6A2SLC6A3SLC6A4PNMTTAAR1
SCHEMBL13692532 0.83 PNMT (0.57) SLC6A2SLC6A3SLC6A4PNMTTAAR1
SCHEMBL196980 0.82 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4PNMTTAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115975968-B Amine dehydrogenase mutant and application thereof in chiral amine synthesis 中国科学院天津工业生物技术研究所 2024-08-02 CN disclosed
CN-115975968-A Amine dehydrogenase mutant and application thereof in chiral amine synthesis 中国科学院天津工业生物技术研究所 2023-04-18 CN disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
EP-0977572-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING EATING DISORDERS MERCK SHARP & DOHME LTD. (GB) 2000-02-09 EP disclosed
WO-1998047513-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING EATING DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-10-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP SLC6A2 3436/4885SLC6A3 3411/4885SLC6A4 3408/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP SLC6A2 3422/4885SLC6A3 3352/4885SLC6A4 3371/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.